SCHEMBL9904722

SCHEMBL9904722

CC(C)c1nc2cscc2nc1N1CCSCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 2/20 0.31
AR P10275 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
CHRM3 P20309 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
CSNK1A1 P48729 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9900096 0.83 POLB (0.46) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9900599 0.81
SCHEMBL9900932 0.81 CSNK1A1 (0.33) KDM4EALDH1A1HSD17B10KMT2ARAB9A
SCHEMBL9901379 0.72 HRH4 (0.49) MAPTPOLB
SCHEMBL9904673 0.68 ADORA2A (0.35)
SCHEMBL9901079 0.65 GLP1R (0.36)
SCHEMBL9925837 0.65
SCHEMBL8025738 0.61 KDM4E (0.42) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL2348152 0.59 ALDH1A1 (0.48) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL24583154 0.58 HTT (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed